2024-01-27_00000180

Protein #1 227 residues (98% resolved)

Raw Sequence ...

GPGSMQLKPMEINPEMLNKVLSRLGVAGQWRFVDVLGLEEESLGSVPAPACALLLLFPLTAQHENFRKKQIEELKGQEVSPKVYFMKQTIGNSCGTIGLIHAVANNQDKLGFEDGSVLKQFLSETEKMSPEDRAKCFEKNEAIQAAHDAVAQEGQCRVDDKVNFHFILFNNVDGHLYELDGRMPFPVNHGASSEDTLLKDAAKVCREFTEREQGEVRFSAVALCKAA

Canonical Sequence ...

Non polymer #2 GKO

InChI=1S/C22H27N7O2/c1-3-4-5-10-24-21(30)17-6-8-18(9-7-17)29-14-20(25-16-29)26-22(31)19-13-28(15-23)12-11-27(19)2/h1,6-9,14-16,19,23H,4-5,10-13H2,2H3,(H,24,30)(H,26,31)

SMILES: CN1CCN(C[C@H]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N

CN1CCN(C[C@H]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N

2024-01-27_00000180|ligand|8PW1

Canonical Sequence ...

SMILES: CN1CCN(C[C@H]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N